2,4-Difluorophenylboronic acid structure

3D Mol Similar

2,4-Difluorophenylboronic acid

: Iupac Name：(2,4-difluorophenyl)boronic acid; CAS No.: 144025-03-6; Molecular Weight：157.911; Modify Date.: 2022-10-28 04:54; Introduction:
2,4-Difluorophenylboronic acid, with the chemical formula C6H5BF2O2 and CAS registry number 144025-03-6, is a compound known for its applications in various chemical processes. This white solid is characterized by its phenyl and boronic acid functional groups, as well as its two fluorine atoms attached to the phenyl ring. It is commonly used as a building block in organic synthesis, offering a versatile platform for the introduction of the phenyl and boronic acid moieties into different molecules. 2,4-Difluorophenylboronic acid has been utilized in the development of pharmaceuticals, agrochemicals, and materials science. It has also been studied for its potential applications in catalysis and as a ligand in coordination chemistry. Overall, 2,4-Difluorophenylboronic acid is a valuable compound with diverse applications in the field of chemistry.
View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; 2,4-Difluorophenylboronic acid; 1.2 Synonyms; (2,4-Dichlorophenyl)boronic acid (2,4-Difluorophenyl)boronic acid 2,4-DIFLUOROBENZENE BORONIC ACID 2,4-DIFLUOROBENZENEBORONIC ACID 2,4-Difluorobenzeneboronic Acid (contains varying amounts of Anhydride) 2,4-Difluorophenyl-1-boronic acid 2,4-Difluorophenylboric acid 2,4-Difluorophenylboronic acid 2,4-FLUOROBENZENE BORONIC ACID 2.4-Difluorophenylboronic acid AKOS BRN-0089 B-(2,4-Difluorophenyl)boronic acid Boronic acid, (2,4-difluorophenyl)- Boronic acid, B-(2,4-difluorophenyl)- MFCD01318998 QBQR BXFFF DXFFF RARECHEM AH PB 0168; View all

1.3 CAS No.: 144025-03-6

1.4 CID: 2734334

1.5 EINECS(EC#): 604-390-9

1.6 Molecular Formula: C6H5BF2O2 (isomer)

1.7 Inchi: InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H

1.8 InChIkey: QQLRSCZSKQTFGY-UHFFFAOYSA-N

1.9 Canonical Smiles: B(C1=C(C=C(C=C1)F)F)(O)O

1.10 Isomers Smiles: B(C1=C(C=C(C=C1)F)F)(O)O

2. Properties

2.1 Density: 1.35

2.1 Melting point: 247-250℃

2.1 Boiling point: 251°Cat760mmHg

2.1 Refractive index: 1.486

2.1 Flash Point: 105.6°C

2.1 Precise Quality: 158.03500

2.1 PSA: 40.46000

2.1 logP: -0.35540

2.1 Appearance: off-white to light beige or yellow powder

2.2 Storage: Ambient temperatures.

2.3 Chemical Properties: off-white to light beige or yellow powder

2.4 Color/Form: Off-white to light beige or yellow

2.5 pKa: 8.47±0.58(Predicted)

2.6 StorageTemp: 0-6°C

3. Use and Manufacturing

3.1 Usage: suzuki reaction 2,4-Difluorophenylboronic acidSupplier

4. Safety and Handling

4.1 Hazard Codes: Xn

4.1 Risk Statements: R22;R36/37/38

4.1 Safety Statements: S26;S37/39

4.1 WGK Germany: 3

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. Synthesis Route

144025-03-6Total: 4 Synthesis Route

871300-65-1

144025-03-6 240 Suppliers

Literatures:
Journal of Organic Chemistry, , vol. 73, # 12 p. 4662 - 4670
Yield: null

348-57-2 276 Suppliers

121-43-7 124 Suppliers

144025-03-6 240 Suppliers

Literatures:
Frohn; Adonin; Bardin; Starichenko Zeitschrift fur Anorganische und Allgemeine Chemie, 2002 , vol. 628, # 13 p. 2827 - 2833
Yield: ~74%

121-43-7 124 Suppliers

144025-04-7

144025-03-6 240 Suppliers

Literatures:
ZAMBON GROUP S.p.A. Patent: EP494419 A2, 1992 ;
Yield: ~85%

View all

7. Precursor and Product

precursor:

144025-04-7

871300-65-1

121-43-7

7732-18-5

512198-16-2

348-57-2

product :

331760-41-9

728918-75-0

2265-93-2

372-18-9

85068-35-5

918638-51-4

22494-42-4

53591-79-0

391250-41-2

76838-87-4

387827-64-7

160521-67-5

59089-68-8

365458-32-8

59089-67-7

1219503-87-3

64248-61-9

367-27-1

274-30-6

391604-55-0

View all

8. Other Information

8.0 BRN: 8616257

8.1 Chemical Properties: off-white to light beige or yellow powder

8.2 Uses: suzuki reaction

9. Computational chemical data

Molecular Weight: 157.911g/mol
Molecular Formula: C₆H₅BF₂O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 158.0350659
Monoisotopic Mass: 158.0350659
Complexity: 134
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 40.5
Heavy Atom Count: 11
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYJgMYAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAoGQAACAAACACAEAgwAIAAAACAACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

How to prepare 2,4-Difluorophenylboronic acid at room temperature? Jul 19 2022
Background technologyArylboronic acids are stable in nature and are not easily oxidized and deliquesced in the air. The Suzuki coupling reaction with halogenated aromatic hydrocarbons has good positio..

11. Recommended Suppliers

Global231SuppliersView all >>

Hebei Crovell Biotech Co. Ltd Diamond member

4YRS

Products:Cosmetic Raw Materials,solvents,etc.
Tel:86-311-66562153
Email:breeduan@crovellbio.com

2,4-Difluorophenylboronic acid Cas 144025-03-6 from China

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kilogram
Time: 2024/11/15

Inquire

Hangzhou Dingyan Chem Co.,Ltd Diamond member

1YR

Products:Export business of hi-tech products such as pharmaceutical materials (APIs), pharmaceutical intermediates, fine chemicals and biochemical reagents, etc.
Tel:86-571-86465881
Email:sales9@dingyanchem.com

2,4-difluorophenylboronic acid